C796-1274 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

C796-1274 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
C796-1274 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1274
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C796-1274

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C16H15N3O2S/c1-21-12-8-6-11(7-9-12)17-15(20)10-22-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)

InChI Key

WMPPNMLFBMVRLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.52

Polar Surface Area

48.673

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C796-1274 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C796-1274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1274?
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What is the minimum amount of C796-1274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1274
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C796-1274 available by request